11-O-Demethylpradinone II
TL;DR: 11-O-Demethylpradinone II (CAS 147810-02-4) is a chemical compound with molecular formula C24H16O11 and molecular weight 480.06927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,6S)-1,5,6,7,9,11,14-heptahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid
Also Known As: 11-O-Demethylpradinone II, (5S,6S)-1,5,6,7,9,11,14-heptahydroxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carboxylic acid, (10R,11R)-2,5,10,11,13,17,19-Heptahydroxy-7-methyl-15,22-dioxopentacyclo(12.8.0.0,.0,.0,)docosa-1(14),2,4(9),5,7,12,16(21),17,19-nonaene-6-carboxylate, (10R,11R)-2,5,10,11,13,17,19-Heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.0,.0,.0,]docosa-1(14),2,4(9),5,7,12,16(21),17,19-nonaene-6-carboxylate, (10S,11S)-2,5,10,11,13,17,19-heptahydroxy-7-methyl-15,22-dioxopentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4(9),5,7,12,16,18,20-nonaene-6-carboxylic acid
Technical Specifications
| Molecular Formula | C24H16O11 |
| Molecular Weight | 480.06927 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 1 |
| Exact Mass | 480.06927 Da |
| Heavy Atoms | 35 |
| Complexity | 908.0 |
| SMILES | CC1=CC2=C(C3=C([C@@H]([C@H]2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)O)C(=C1C(=O)O)O |
| InChIKey | WPQNJCYILUYTQH-MBSDFSHPSA-N |
Chemical Property Profile of 11-O-Demethylpradinone II
Property Insights of 11-O-Demethylpradinone II
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-O-Demethylpradinone II. The TPSA of 213.0 Ų indicates high polarity, suggesting 11-O-Demethylpradinone II may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 11-O-Demethylpradinone II has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 11-O-Demethylpradinone II?
The CAS number of 11-O-Demethylpradinone II is 147810-02-4.
What is the molecular formula of 11-O-Demethylpradinone II?
The molecular formula of 11-O-Demethylpradinone II is C24H16O11.
What is the molecular weight of 11-O-Demethylpradinone II?
The molecular weight of 11-O-Demethylpradinone II is 480.06927 g/mol.
Where can I buy 11-O-Demethylpradinone II?
You can request a quote for 11-O-Demethylpradinone II directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-O-Demethylpradinone II?
Yes, CoreyChem provides custom synthesis services for 11-O-Demethylpradinone II and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.